SCHEMBL1615073

SCHEMBL1615073

O=C(O)COc1ccc(Br)cc1Br

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
PTGDR2 Q9Y5Y4 8/20 0.68
TDP1 Q9NUW8 2/20 0.60
POLB P06746 1/20 0.60
TSHR P16473 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PTGDR Q13258 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
HPGD P15428 1/20 0.55
MAPT P10636 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5502944 0.84 PKM (0.68) PKMPTGDR2TDP1POLBTSHR
SCHEMBL3044855 0.84 PTGDR2 (0.79) PKMPTGDR2TDP1POLBTSHR
SCHEMBL1369720 0.82 PTGDR2 (0.64) PKMPTGDR2TDP1POLBTSHR
SCHEMBL3198632 0.82 PTGDR2 (0.67) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL3203774 0.82 PTGDR2 (0.64) PKMPTGDR2TDP1POLBTSHR
SCHEMBL511290 0.82 HTR1B (0.55) PKMPTGDR2TDP1POLBTSHR
SCHEMBL3714744 0.82 PKM (0.66) PKMPTGDR2TDP1TSHRSMN1; SMN2
SCHEMBL3203787 0.82 TDP1 (0.70) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL1369311 0.82 TDP1 (0.70) PKMPTGDR2TDP1TSHRPTGDR
SCHEMBL2112042 0.82 PKM (1.00) PKMPTGDR2TDP1POLBPTGDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108115-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES DFB BIOTECH, INCORPORATED (US) 2008-05-08 US claimed
US-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US claimed
US-7015247-B2 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN 2006-03-21 US claimed
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN (US) 2003-01-09 US claimed
US-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs GUTTAG ALVIN (US) 2002-05-30 US claimed
CN-116715579-A Continuous preparation method of isooctyl 2-methyl-4-chlorophenoxyacetate 江苏永泰丰作物科学有限公司 2023-09-08 CN disclosed
CN-105126858-A Magnetic nano neodymium-iron-titanium oxide ozone catalyst and preparation method and application thereof HANGZHOU CUITE ENVIRONMENT PROT TECHNOLOGY CO LTD 2015-12-09 CN disclosed
CN-104224781-A 2-acylamino-3-alkoxyl substituted pyridine compounds and novel use thereof INST MED BIOTECHNOLOGY CAMS 2014-12-24 CN disclosed
US-20130017582-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON HOLDINGS, LLC (US) 2013-01-17 US disclosed
US-8338143-B2 Enhanced production of paclitaxel and taxanes by cell cultures of Taxus species PHYTON HOLDINGS, LLC (US) 2012-12-25 US disclosed
US-20110086397-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON HOLDINGS, LLC (US) 2011-04-14 US disclosed
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
EP-1398384-A1 Enhanced production of taxanes by cell cultures of taxus species Phyton Inc. (US) 2004-03-17 EP disclosed
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN (US) 2003-01-09 US disclosed
US-6436916-B1 PHENOLIC ESTERS OF IBUPROFEN WITH SALICYLIC ACID OR ITS NONTOXIC SALTS USED AS ANTITUMOR AGENT GUTTAG ALVIN (US) 2002-08-20 US disclosed
US-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs GUTTAG ALVIN (US) 2002-05-30 US disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs PTGES3, HPGDS, PTGES PKM 4303/4885PTGDR2 45/4885TDP1 665/4885
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GALE, TPT1, HPSE PKM 4602/4885PTGDR2 1291/4885TDP1 1530/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.